3,4-dibromopentan-2-ol

C5H10Br2O — CID 12670882

IUPAC3,4-dibromopentan-2-ol
SMILESCC(O)C(Br)C(C)Br
InChIInChI=1S/C5H10Br2O/c1-3(6)5(7)4(2)8/h3-5,8H,1-2H3
InChIKeyHRGXZNLJKDUZFD-UHFFFAOYSA-N
MW245.94 g/mol
LogP1.91
Rot. Bonds2

About 3,4-dibromopentan-2-ol

3,4-dibromopentan-2-ol (PubChem CID 12670882) has the molecular formula C5H10Br2O and a molecular weight of 245.94 g/mol. Its IUPAC name is 3,4-dibromopentan-2-ol.

Molecular Properties

Compound Name3,4-dibromopentan-2-ol
PubChem CID12670882
Molecular FormulaC5H10Br2O
Molecular Weight245.94 g/mol
Exact Mass243.91
IUPAC Name3,4-dibromopentan-2-ol
SMILESCC(O)C(Br)C(C)Br
InChIInChI=1S/C5H10Br2O/c1-3(6)5(7)4(2)8/h3-5,8H,1-2H3
InChIKeyHRGXZNLJKDUZFD-UHFFFAOYSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.94
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromopentan-2-ol?
The IUPAC name of 3,4-dibromopentan-2-ol (CID 12670882) is 3,4-dibromopentan-2-ol.
What is the SMILES notation for 3,4-dibromopentan-2-ol?
The canonical SMILES for 3,4-dibromopentan-2-ol is CC(O)C(Br)C(C)Br.
What is the InChIKey of 3,4-dibromopentan-2-ol?
The InChIKey is HRGXZNLJKDUZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2O/c1-3(6)5(7)4(2)8/h3-5,8H,1-2H3.
What are the key properties of 3,4-dibromopentan-2-ol?
3,4-dibromopentan-2-ol has a molecular weight of 245.94 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromopentan-2-ol is sourced from PubChem (CID 12670882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).